NeurIPS 2024 Papers

This paper introduces the first generalization and adaptation benchmark using machine learning for evaluating out-of-distribution performance of electromyography (EMG) classification algorithms. The ability of an EMG classifier to handle inputs drawn from a different distribution than the training distribution is critical for real-world deployment as a control interface. By predicting the user’s intended gesture using EMG signals, we can create a wearable solution to control assistive technologies, such as computers, prosthetics, and mobile manipulator robots. This new out-of-distribution benchmark consists of two major tasks that have utility for building robust and adaptable control interfaces: 1) intersubject classification, and 2) adaptation using train-test splits for time-series. This benchmark spans nine datasets, the largest collection of EMG datasets in a benchmark. Among these, a new dataset is introduced, featuring a novel, easy-to-wear high-density EMG wearable for data collection. The lack of open-source benchmarks has made comparing accuracy results between papers challenging for the EMG research community. This new benchmark provides researchers with a valuable resource for analyzing practical measures of out-of-distribution performance for EMG datasets. Our code and data from our new dataset can be found at emgbench.github.io.

Our paper addresses the complex task of transferring a hairstyle from a reference image to an input photo for virtual hair try-on. This task is challenging due to the need to adapt to various photo poses, the sensitivity of hairstyles, and the lack of objective metrics. The current state of the art hairstyle transfer methods use an optimization process for different parts of the approach, making them inexcusably slow. At the same time, faster encoder-based models are of very low quality because they either operate in StyleGAN's W+ space or use other low-dimensional image generators. Additionally, both approaches have a problem with hairstyle transfer when the source pose is very different from the target pose, because they either don't consider the pose at all or deal with it inefficiently. In our paper, we present the HairFast model, which uniquely solves these problems and achieves high resolution, near real-time performance, and superior reconstruction compared to optimization problem-based methods. Our solution includes a new architecture operating in the FS latent space of StyleGAN, an enhanced inpainting approach, and improved encoders for better alignment, color transfer, and a new encoder for post-processing. The effectiveness of our approach is demonstrated on realism metrics after random hairstyle transfer and reconstruction when the original hairstyle is transferred. In the most difficult scenario of transferring both shape and color of a hairstyle from different images, our method performs in less than a second on the Nvidia V100.

Most advances in 3D Generative Adversarial Networks (3D GANs) largely depend on ray casting-based volume rendering, which incurs demanding rendering costs. One promising alternative is rasterization-based 3D Gaussian Splatting (3D-GS), providing a much faster rendering speed and explicit 3D representation. In this paper, we exploit Gaussian as a 3D representation for 3D GANs by leveraging its efficient and explicit characteristics. However, in an adversarial framework, we observe that a na\"ive generator architecture suffers from training instability and lacks the capability to adjust the scale of Gaussians. This leads to model divergence and visual artifacts due to the absence of proper guidance for initialized positions of Gaussians and densification to manage their scales adaptively. To address these issues, we introduce GSGAN, a generator architecture with a hierarchical multi-scale Gaussian representation that effectively regularizes the position and scale of generated Gaussians. Specifically, we design a hierarchy of Gaussians where finer-level Gaussians are parameterized by their coarser-level counterparts; the position of finer-level Gaussians would be located near their coarser-level counterparts, and the scale would monotonically decrease as the level becomes finer, modeling both coarse and fine details of the 3D scene. Experimental results demonstrate that ours achieves a significantly faster rendering speed (×100) compared to state-of-the-art 3D consistent GANs with comparable 3D generation capability.

Dynamical systems theory (DST) is fundamental for many areas of science and engineering. It can provide deep insights into the behavior of systems evolving in time, as typically described by differential or recursive equations. A common approach to facilitate mathematical tractability and interpretability of DS models involves decomposing nonlinear DS into multiple linear DS combined by switching manifolds, i.e. piecewise linear (PWL) systems. PWL models are popular in engineering and a frequent choice in mathematics for analyzing the topological properties of DS. However, hand-crafting such models is tedious and only possible for very low-dimensional scenarios, while inferring them from data usually gives rise to unnecessarily complex representations with very many linear subregions. Here we introduce Almost-Linear Recurrent Neural Networks (AL-RNNs) which automatically and robustly produce most parsimonious PWL representations of DS from time series data, using as few PWL nonlinearities as possible. AL-RNNs can be efficiently trained with any SOTA algorithm for dynamical systems reconstruction (DSR), and naturally give rise to a symbolic encoding of the underlying DS that provably preserves important topological properties. We show that for the Lorenz and Rössler systems, AL-RNNs derive, in a purely data-driven way, the known topologically minimal PWL representations of the corresponding chaotic attractors. We further illustrate on two challenging empirical datasets that interpretable symbolic encodings of the dynamics can be achieved, tremendously facilitating mathematical and computational analysis of the underlying systems.

Large language models (LLMs) have recently demonstrated great success in generating and understanding natural language. While they have also shown potential beyond the domain of natural language, it remains an open question as to what extent and in which way these LLMs can plan. We investigate their planning capabilities by proposing \texttt{GameTraversalBenchmark (GTB)}, a benchmark consisting of diverse 2D grid-based game maps. An LLM succeeds if it can traverse through given objectives, with a minimum number of steps and a minimum number of generation errors. We evaluate a number of LLMs on \texttt{GTB} and found that GPT-4-Turbo achieved the highest score of $44.97\%$ on \texttt{GTB\_Score} (GTBS), a composite score that combines the three above criteria. Furthermore, we preliminarily test large reasoning models, namely o1, which scores $67.84\%$ on GTBS, indicating that the benchmark remains challenging for current models. Code, data, and documentation are available at \url{https://github.com/umair-nasir14/Game-Traversal-Benchmark}.

The neural network memorization problem is to study the expressive power of neural networks to interpolate a finite dataset. Although memorization is widely believed to have a close relationship with the strong generalizability of deep learning when using overparameterized models, to the best of our knowledge, there exists no theoretical study on the generalizability of memorization neural networks. In this paper, we give the first theoretical analysis of this topic. Since using i.i.d. training data is a necessary condition for a learning algorithm to be generalizable, memorization and its generalization theory for i.i.d. datasets are developed under mild conditions on the data distribution. First, algorithms are given to construct memorization networks for an i.i.d. dataset, which have the smallest number of parameters and even a constant number of parameters. Second, we show that, in order for the memorization networks to be generalizable, the width of the network must be at least equal to the dimension of the data, which implies that the existing memorization networks with an optimal number of parameters are not generalizable. Third, a lower bound for the sample complexity of general memorization algorithms and the exact sample complexity for memorization algorithms with constant number of parameters are given. As a consequence, it is shown that there exist data distributions such that, to be generalizable for them, the memorization network must have an exponential number of parameters in the data dimension. Finally, an efficient and generalizable memorization algorithm is given when the number of training samples is greater than the efficient memorization sample complexity of the data distribution.

Generating natural and meaningful responses to communicate with multi-modal human inputs is a fundamental capability of Large Vision-Language Models (LVLMs). While current open-source LVLMs demonstrate promising performance in simplified scenarios such as single-turn single-image input, they fall short in real-world conversation scenarios such as following instructions in a long context history with multi-turn and multi-images. Existing LVLM benchmarks primarily focus on single-choice questions or short-form responses, which do not adequately assess the capabilities of LVLMs in real-world human-AI interaction applications. Therefore, we introduce MMDU, a comprehensive benchmark, and MMDU-45k, a large-scale instruction tuning dataset, designed to evaluate and improve LVLMs' abilities in multi-turn and multi-image conversations. We employ the clustering algorithm to find the relevant images and textual descriptions from the open-source Wikipedia and construct the question-answer pairs by human annotators with the assistance of the GPT-4o model. MMDU has a maximum of 18k image+text tokens, 20 images, and 27 turns, which is at least 5x longer than previous benchmarks and poses challenges to current LVLMs. Our in-depth analysis of 15 representative LVLMs using MMDU reveals that open-source LVLMs lag behind closed-source counterparts due to limited conversational instruction tuning data. We demonstrate that fine-tuning open-source LVLMs on MMDU-45k significantly address this gap, generating longer and more accurate conversations, and improving scores on MMDU and existing benchmarks (MMStar: +1.1%, MathVista: +1.5%, ChartQA: +1.2%). Our contributions pave the way for bridging the gap between current LVLM models and real-world application demands. The links to MMDU, and MMDU-45k are available in the supplementary material.

Imperceptible adversarial attacks aim to fool DNNs by adding imperceptible perturbation to the input data. Previous methods typically improve the imperceptibility of attacks by integrating common attack paradigms with specifically designed perception-based losses or the capabilities of generative models. In this paper, we propose Adversarial Attacks in Diffusion (AdvAD), a novel modeling framework distinct from existing attack paradigms. AdvAD innovatively conceptualizes attacking as a non-parametric diffusion process by theoretically exploring basic modeling approach rather than using the denoising or generation abilities of regular diffusion models requiring neural networks. At each step, much subtler yet effective adversarial guidance is crafted using only the attacked model without any additional network, which gradually leads the end of diffusion process from the original image to a desired imperceptible adversarial example. Grounded in a solid theoretical foundation of the proposed non-parametric diffusion process, AdvAD achieves high attack efficacy and imperceptibility with intrinsically lower overall perturbation strength. Additionally, an enhanced version AdvAD-X is proposed to evaluate the extreme of our novel framework under an ideal scenario. Extensive experiments demonstrate the effectiveness of the proposed AdvAD and AdvAD-X. Compared with state-of-the-art imperceptible attacks, AdvAD achieves an average of 99.9% (+17.3%) ASR with 1.34 (-0.97) $l_2$ distance, 49.74 (+4.76) PSNR and 0.9971 (+0.0043) SSIM against four prevalent DNNs with three different architectures on the ImageNet-compatible dataset. Code is available at https://github.com/XianguiKang/AdvAD.

Understanding the mechanisms of information storage and transfer in Transformer-based models is important for driving model understanding progress. Recent work has studied these mechanisms for Large Language Models (LLMs), revealing insights on how information is stored in a model's parameters and how information flows to and from these parameters in response to specific prompts. However, these studies have not yet been extended to Multi-modal Large Language Models (MLLMs). Given their expanding capabilities and real-world use, we start by studying one aspect of these models -- how MLLMs process information in a factual visual question answering task. We use a constraint-based formulation which views a visual question as having a set of visual or textual constraints that the model's generated answer must satisfy to be correct (e.g. What movie directed by \emph{the director in this photo} has won a \emph{Golden Globe}?). Under this setting, we contribute i) a method that extends causal information tracing from pure language to the multi-modal setting, and ii) \emph{VQA-Constraints}, a test-bed of 9.7K visual questions annotated with constraints. We use these tools to study two open-source MLLMs, LLaVa and multi-modal Phi-2. Our key findings show that these MLLMs rely on MLP and self-attention blocks in much earlier layers for information storage, compared to LLMs whose mid-layer MLPs are more important. We also show that a consistent small subset of visual tokens output by the vision encoder are responsible for transferring information from the image to these causal blocks. We validate these mechanisms by introducing MultEdit a model-editing algorithm that can correct errors and insert new long-tailed information into MLLMs by targeting these causal blocks. We will publicly release our dataset and code.

We study off-policy evaluation (OPE) in partially observable environments with complex observations, with the goal of developing estimators whose guarantee avoids exponential dependence on the horizon. While such estimators exist for MDPs and POMDPs can be converted to history-based MDPs, their estimation errors depend on the state-density ratio for MDPs which becomes history ratios after conversion, an exponential object. Recently, Uehara et al. [2022a] proposed future-dependent value functions as a promising framework to address this issue, where the guarantee for memoryless policies depends on the density ratio over the latent state space. However, it also depends on the boundedness of the future-dependent value function and other related quantities, which we show could be exponential-in-length and thus erasing the advantage of the method. In this paper, we discover novel coverage assumptions tailored to the structure of POMDPs, such as outcome coverage and belief coverage, which enable polynomial bounds on the aforementioned quantities. As a side product, our analyses also lead to the discovery of new algorithms with complementary properties.

Randomized smoothing is a popular certified defense against adversarial attacks. In its essence, we need to solve a problem of statistical estimation which is usually very time-consuming since we need to perform numerous (usually $10^5$) forward passes of the classifier for every point to be certified. In this paper, we review the statistical estimation problems for randomized smoothing to find out if the computational burden is necessary. In particular, we consider the (standard) task of adversarial robustness where we need to decide if a point is robust at a certain radius or not using as few samples as possible while maintaining statistical guarantees. We present estimation procedures employing confidence sequences enjoying the same statistical guarantees as the standard methods, with the optimal sample complexities for the estimation task and empirically demonstrate their good performance. Additionally, we provide a randomized version of Clopper-Pearson confidence intervals resulting in strictly stronger certificates.

The exploration-exploitation dilemma has been a central challenge in reinforcement learning (RL) with complex model classes. In this paper, we propose a new algorithm, Monotonic Q-Learning with Upper Confidence Bound (MQL-UCB) for RL with general function approximation. Our key algorithmic design includes (1) a general deterministic policy-switching strategy that achieves low switching cost, (2) a monotonic value function structure with carefully controlled function class complexity, and (3) a variance-weighted regression scheme that exploits historical trajectories with high data efficiency. MQL-UCB achieves minimax optimal regret of $\tilde{O}(d\sqrt{HK})$ when $K$ is sufficiently large and near-optimal policy switching cost of $\tilde{O}(dH)$, with $d$ being the eluder dimension of the function class, $H$ being the planning horizon, and $K$ being the number of episodes. Our work sheds light on designing provably sample-efficient and deployment-efficient Q-learning with nonlinear function approximation.

Particle-based Bayesian deep learning often requires a similarity metric to compare two networks. However, naive similarity metrics lack permutation invariance and are inappropriate for comparing networks. Centered Kernel Alignment (CKA) on feature kernels has been proposed to compare deep networks but has not been used as an optimization objective in Bayesian deep learning. In this paper, we explore the use of CKA in Bayesian deep learning to generate diverse ensembles and hypernetworks that output a network posterior. Noting that CKA projects kernels onto a unit hypersphere and that directly optimizing the CKA objective leads to diminishing gradients when two networks are very similar. We propose adopting the approach of hyperspherical energy (HE) on top of CKA kernels to address this drawback and improve training stability. Additionally, by leveraging CKA-based feature kernels, we derive feature repulsive terms applied to synthetically generated outlier examples. Experiments on both diverse ensembles and hypernetworks show that our approach significantly outperforms baselines in terms of uncertainty quantification in both synthetic and realistic outlier detection tasks.

Image restoration has experienced significant advancements due to the development of deep learning. Nevertheless, it encounters challenges related to ill-posed problems, resulting in deviations between single model predictions and ground-truths. Ensemble learning, as a powerful machine learning technique, aims to address these deviations by combining the predictions of multiple base models. Most existing works adopt ensemble learning during the design of restoration models, while only limited research focuses on the inference-stage ensemble of pre-trained restoration models. Regression-based methods fail to enable efficient inference, leading researchers in academia and industry to prefer averaging as their choice for post-training ensemble. To address this, we reformulate the ensemble problem of image restoration into Gaussian mixture models (GMMs) and employ an expectation maximization (EM)-based algorithm to estimate ensemble weights for aggregating prediction candidates. We estimate the range-wise ensemble weights on a reference set and store them in a lookup table (LUT) for efficient ensemble inference on the test set. Our algorithm is model-agnostic and training-free, allowing seamless integration and enhancement of various pre-trained image restoration models. It consistently outperforms regression-based methods and averaging ensemble approaches on 14 benchmarks across 3 image restoration tasks, including super-resolution, deblurring and deraining. The codes and all estimated weights have been released in Github.

Adam is one of the most popular optimization algorithms in deep learning. However, it is known that Adam does not converge in theory unless choosing a hyperparameter, i.e., $\beta_2$, in a problem-dependent manner. There have been many attempts to fix the non-convergence (e.g., AMSGrad), but they require an impractical assumption that the gradient noise is uniformly bounded. In this paper, we propose a new adaptive gradient method named ADOPT, which achieves the optimal convergence rate of $\mathcal{O} ( 1 / \sqrt{T} )$ with any choice of $\beta_2$ without depending on the bounded noise assumption. ADOPT addresses the non-convergence issue of Adam by removing the current gradient from the second moment estimate and changing the order of the momentum update and the normalization by the second moment estimate. We also conduct intensive numerical experiments, and verify that our ADOPT achieves superior results compared to Adam and its variants across a wide range of tasks, including image classification, generative modeling, natural language processing, and deep reinforcement learning. The implementation is available at https://github.com/iShohei220/adopt.

Real-world multi-agent scenarios often involve mixed motives, demanding altruistic agents capable of self-protection against potential exploitation. However, existing approaches often struggle to achieve both objectives. In this paper, based on that empathic responses are modulated by learned social relationships between agents, we propose LASE (**L**earning to balance **A**ltruism and **S**elf-interest based on **E**mpathy), a distributed multi-agent reinforcement learning algorithm that fosters altruistic cooperation through gifting while avoiding exploitation by other agents in mixed-motive games. LASE allocates a portion of its rewards to co-players as gifts, with this allocation adapting dynamically based on the social relationship --- a metric evaluating the friendliness of co-players estimated by counterfactual reasoning. In particular, social relationship measures each co-player by comparing the estimated $Q$-function of current joint action to a counterfactual baseline which marginalizes the co-player's action, with its action distribution inferred by a perspective-taking module. Comprehensive experiments are performed in spatially and temporally extended mixed-motive games, demonstrating LASE's ability to promote group collaboration without compromising fairness and its capacity to adapt policies to various types of interactive co-players.

Existing methods to generate aesthetic QR codes, such as image and style transfer techniques, tend to compromise either the visual appeal or the scannability of QR codes when they incorporate human face identity. Addressing these imperfections, we present Face2QR—a novel pipeline specifically designed for generating personalized QR codes that harmoniously blend aesthetics, face identity, and scannability. Our pipeline introduces three innovative components. First, the ID-refined QR integration (IDQR) seamlessly intertwines the background styling with face ID, utilizing a unified SD-based framework with control networks. Second, the ID-aware QR ReShuffle (IDRS) effectively rectifies the conflicts between face IDs and QR patterns, rearranging QR modules to maintain the integrity of facial features without compromising scannability. Lastly, the ID-preserved Scannability Enhancement (IDSE) markedly boosts scanning robustness through latent code optimization, striking a delicate balance between face ID, aesthetic quality and QR functionality. In comprehensive experiments, Face2QR demonstrates remarkable performance, outperforming existing approaches, particularly in preserving facial recognition features within custom QR code designs.

Meta-reinforcement learning (Meta-RL) has attracted attention due to its capability to enhance reinforcement learning (RL) algorithms, in terms of data efficiency and generalizability. In this paper, we develop a bilevel optimization framework for meta-RL (BO-MRL) to learn the meta-prior for task-specific policy adaptation, which implements multiple-step policy optimization on one-time data collection. Beyond existing meta-RL analyses, we provide upper bounds of the expected optimality gap over the task distribution. This metric measures the distance of the policy adaptation from the learned meta-prior to the task-specific optimum, and quantifies the model's generalizability to the task distribution. We empirically validate the correctness of the derived upper bounds and demonstrate the superior effectiveness of the proposed algorithm over benchmarks.

LiDAR-based 3D object detection has made impressive progress recently, yet most existing models are black-box, lacking interpretability. Previous explanation approaches primarily focus on analyzing image-based models and are not readily applicable to LiDAR-based 3D detectors. In this paper, we propose a feature factorization activation map (FFAM) to generate high-quality visual explanations for 3D detectors. FFAM employs non-negative matrix factorization to generate concept activation maps and subsequently aggregates these maps to obtain a global visual explanation. To achieve object-specific visual explanations, we refine the global visual explanation using the feature gradient of a target object. Additionally, we introduce a voxel upsampling strategy to align the scale between the activation map and input point cloud. We qualitatively and quantitatively analyze FFAM with multiple detectors on several datasets. Experimental results validate the high-quality visual explanations produced by FFAM. The code is available at \url{https://anonymous.4open.science/r/FFAM-B9AF}.